SCHEMBL1704435

SCHEMBL1704435

Cc1ccnc(Nc2cc(N)cc(-c3ccnc(N4C[C@@H]5C[C@H]4CN5)c3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 9/20 0.49
SYK P43405 3/20 0.46
MAP3K12 Q12852 1/20 0.42
CLK2 P49760 2/20 0.40
GSK3B P49841 2/20 0.40
WNT1 P04628 1/20 0.40
CLK3 P49761 1/20 0.40
DYRK1A Q13627 1/20 0.40
PIM1 P11309 1/20 0.39
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
IGF1R P08069 1/20 0.38
LTK P29376 1/20 0.38
KDR P35968 1/20 0.38
MAP2K2 P36507 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
GSK3A P49840 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL901796 0.82 KARS1 (0.45) KARS1SYKMAP3K12
SCHEMBL22425334 0.77 CHRNB2 (0.53)
SCHEMBL10268986 0.76 KARS1 (0.75) KARS1SYK
SCHEMBL902051 0.73 KARS1 (0.55) KARS1SYKMAP3K12
SCHEMBL902768 0.70 KARS1 (0.52) KARS1SYKCLK2GSK3BWNT1
SCHEMBL1704236 0.70 KARS1 (0.52) KARS1SYKCLK2GSK3BWNT1
SCHEMBL1704276 0.70 KARS1 (0.68) KARS1CLK2GSK3BWNT1CLK3
SCHEMBL901888 0.70 KARS1 (0.68) KARS1MAP3K12CLK2GSK3BWNT1
SCHEMBL1755607 0.70 KARS1 (0.56) KARS1MAP3K12CLK2GSK3BWNT1
SCHEMBL11963534 0.70 KHK (0.42) CLK2GSK3BWNT1CLK3DYRK1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP claimed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed